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Trivalent and pentavalent atoms doped boron nitride nanosheets as Favipiravir drug carriers for the treatment of COVID-19 using computational approaches.
Comput Theor Chem. 2022 Nov;1217:113902. doi: 10.1016/j.comptc.2022.113902. Epub 2022 Sep 30.
Comput Theor Chem. 2022.
PMID: 36211195
Free PMC article.
Surface adsorption of nitrosourea on pristine and doped (Al, Ga and In) boron nitride nanosheets as anticancer drug carriers: the DFT and COSMO insights.
Ema SN, Khaleque MA, Ghosh A, Piya AA, Habiba U, Shamim SUD.
Ema SN, et al. Among authors: shamim sud.
RSC Adv. 2021 Nov 17;11(58):36866-36883. doi: 10.1039/d1ra07555a. eCollection 2021 Nov 10.
RSC Adv. 2021.
PMID: 35494400
Free PMC article.
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In-plane graphene/boron nitride heterostructures and their potential application as toxic gas sensors.
Mawwa J, Shamim SUD, Khanom S, Hossain MK, Ahmed F.
Mawwa J, et al. Among authors: shamim sud.
RSC Adv. 2021 Oct 6;11(52):32810-32823. doi: 10.1039/d1ra06304a. eCollection 2021 Oct 4.
RSC Adv. 2021.
PMID: 35493562
Free PMC article.
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Exploring the adsorption ability with sensitivity and reactivity of C12-B6N6, C12-Al6N6, and B6N6-Al6N6 heteronanocages towards the cisplatin drug: a DFT, AIM, and COSMO analysis.
Muktadir MG, Alam A, Piya AA, Shamim SUD.
Muktadir MG, et al. Among authors: shamim sud.
RSC Adv. 2022 Oct 18;12(45):29569-29584. doi: 10.1039/d2ra04011e. eCollection 2022 Oct 11.
RSC Adv. 2022.
PMID: 36320781
Free PMC article.
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Tuning the electrochemical behavior of graphene oxide and reduced graphene oxide via doping hexagonal BN for high capacity negative electrodes for Li and Na ion batteries.
Shamim SUD, Piya AA, Rahman MS, Hasan SM, Hossain MK, Ahmed F.
Shamim SUD, et al.
Phys Chem Chem Phys. 2023 Feb 1;25(5):4047-4061. doi: 10.1039/d2cp05451e.
Phys Chem Chem Phys. 2023.
PMID: 36651014
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Exploring the anodic performance of ScSeS and TiSeS monolayers of modified transition metal dichalcogenides for Mg ion batteries via DFT calculations.
Rifah SS, Zaman MS, Piya AA, Shamim SUD.
Rifah SS, et al. Among authors: shamim sud.
Phys Chem Chem Phys. 2024 Feb 22;26(8):6667-6677. doi: 10.1039/d3cp04532c.
Phys Chem Chem Phys. 2024.
PMID: 38088043
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A DFT study on the geometrical structures, electronic, and spectroscopic properties of inverse sandwich monocyclic boron nanoclusters ConBm (n = 1.2; m = 6-8).
Shamim SUD, Hussain T, Hossian MR, Hossain MK, Ahmed F, Ferdous T, Hossain MA.
Shamim SUD, et al.
J Mol Model. 2020 May 25;26(6):153. doi: 10.1007/s00894-020-04419-z.
J Mol Model. 2020.
PMID: 32451624
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